1-(5-methylsulfanyl-1,2,3,4-tetrazol-2-yl)-4-phenyl-butan-2-one

Systemtic Name: 1-(5-methylsulfanyl-1,2,3,4-tetrazol-2-yl)-4-phenyl-butan-2-one Openeye Name: 1-(5-methylsulfanyltetrazol-2-yl)-4-phenyl-butan-2-one CAS Name: 1-[5-(methylthio)-2-tetrazolyl]-4-phenyl-2-butanone IUPAC Name: 1-(5-methylsulfanyltetrazol-2-yl)-4-phenylbutan-2-one Traditional Name: 1-[5-(methylthio)tetrazol-2-yl]-4-phenyl-butan-2-one Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(N=N1)CC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CSC1=NN(N=N1)CC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C12H14N4OS/c1-18-12-13-15-16(14-12)9-11(17)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3